7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate

C12H22Cl2O2Si — CID 172804867

IUPAC7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC[SiH2]C(Cl)Cl
InChIInChI=1S/C12H22Cl2O2Si/c1-10(2)11(15)16-8-6-4-3-5-7-9-17-12(13)14/h12H,1,3-9,17H2,2H3
InChIKeyRJGCHSJODRGJTP-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.40
Rot. Bonds10

About 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate

7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate (PubChem CID 172804867) has the molecular formula C12H22Cl2O2Si and a molecular weight of 297.30 g/mol. Its IUPAC name is 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
PubChem CID172804867
Molecular FormulaC12H22Cl2O2Si
Molecular Weight297.30 g/mol
Exact Mass296.08
IUPAC Name7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC[SiH2]C(Cl)Cl
InChIInChI=1S/C12H22Cl2O2Si/c1-10(2)11(15)16-8-6-4-3-5-7-9-17-12(13)14/h12H,1,3-9,17H2,2H3
InChIKeyRJGCHSJODRGJTP-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate
CID 159008307
17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate
CID 172739962
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate
CID 102275209
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate
CID 154399955
4-(dichloromethylsilyl)butyl prop-2-enoate
CID 172852779
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
octatetracontyl 2-methylprop-2-enoate
CID 141233444
3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate?
The IUPAC name of 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate (CID 172804867) is 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate.
What is the SMILES notation for 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate?
The canonical SMILES for 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCC[SiH2]C(Cl)Cl.
What is the InChIKey of 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate?
The InChIKey is RJGCHSJODRGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2O2Si/c1-10(2)11(15)16-8-6-4-3-5-7-9-17-12(13)14/h12H,1,3-9,17H2,2H3.
What are the key properties of 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate?
7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate has a molecular weight of 297.30 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate is sourced from PubChem (CID 172804867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).